N-[(2S)-butan-2-yl]-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[(1-p-phenetylbenzimidazol-2-yl)thio]acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)OCC

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H25N3O2S/c1-4-15(3)22-20(25)14-27-21-23-18-8-6-7-9-19(18)24(21)16-10-12-17(13-11-16)26-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,25)/t15-/m0/s1